This chemical is called [1,1'-Biphenyl]-4-carbonitrile,4'-(nonyloxy)-, and it can also be named as 4'-(Nonyloxy)[1,1'-biphenyl]-4-carbonitrile. With the molecular formula of C22H27NO, its molecular weight is 321.45588. The CAS registry number of this chemical is 58932-13-1, and its EINECS number is 261-503-0. Additionally,the systemaic name of this chemical is 4'-(Nonyloxy)biphenyl-4-carbonitrile.
Other characteristics of the [1,1'-Biphenyl]-4-carbonitrile,4'-(nonyloxy)- can be summarised as followings: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.36; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 231209.95; (6)ACD/BCF (pH 7.4): 231209.95; (7)ACD/KOC (pH 5.5): 240508.64; (8)ACD/KOC (pH 7.4): 240508.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 99.43 cm3; (15)Molar Volume: 312.5 cm3; (16)Polarizability: 39.42×10-24 cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 194.6 °C; (20)Enthalpy of Vaporization: 72.95 kJ/mol; (21)Boiling Point: 467.5 °C at 760 mmHg ; (22)Vapour Pressure: 6.48E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2ccc(c1ccc(OCCCCCCCCC)cc1)cc2
2.InChI: InChI=1/C22H27NO/c1-2-3-4-5-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(18-23)10-12-20/h9-16H,2-8,17H2,1H3
3.InChIKey: NJQLLUIPSJLJHY-UHFFFAOYAS
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